CID 86048752

851756-51-9

Structural Information

Molecular Formula
C7H8BClO2
SMILES
B(C1=C(C=CC=C1Cl)C)(O)O
InChI
InChI=1S/C7H8BClO2/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4,10-11H,1H3
InChIKey
XYDCLLBIQICNJF-UHFFFAOYSA-N
Compound name
(2-chloro-6-methylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

170.0306 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.03788 129.3
[M+Na]+ 193.01982 138.8
[M-H]- 169.02332 130.9
[M+NH4]+ 188.06442 149.8
[M+K]+ 208.99376 135.0
[M+H-H2O]+ 153.02786 125.8
[M+HCOO]- 215.02880 146.3
[M+CH3COO]- 229.04445 173.5
[M+Na-2H]- 191.00527 134.3
[M]+ 170.03005 130.1
[M]- 170.03115 130.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe